(2,5-dichlorothiophen-3-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

C16H14Cl2N6OS — CID 122337339

IUPAC(2,5-dichlorothiophen-3-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C16H14Cl2N6OS/c17-12-8-11(15(18)26-12)16(25)23-6-4-22(5-7-23)13-9-14(20-10-19-13)24-3-1-2-21-24/h1-3,8-10H,4-7H2
InChIKeyGOAWJSWGRHVGSK-UHFFFAOYSA-N
MW409.30 g/mol
LogP2.99
Rot. Bonds3

About (2,5-dichlorothiophen-3-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone

(2,5-dichlorothiophen-3-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 122337339) has the molecular formula C16H14Cl2N6OS and a molecular weight of 409.30 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID122337339
Molecular FormulaC16H14Cl2N6OS
Molecular Weight409.30 g/mol
Exact Mass408.03
IUPAC Name(2,5-dichlorothiophen-3-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1cc(Cl)sc1Cl)N1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C16H14Cl2N6OS/c17-12-8-11(15(18)26-12)16(25)23-6-4-22(5-7-23)13-9-14(20-10-19-13)24-3-1-2-21-24/h1-3,8-10H,4-7H2
InChIKeyGOAWJSWGRHVGSK-UHFFFAOYSA-N
XLogP2.99
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2,5-dichlorothiophen-3-yl)-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
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(2-methoxyphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700331
(2,5-dichlorothiophen-3-yl)-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122345540
[2-(difluoromethylsulfanyl)phenyl]-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337268
(4-bromophenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699707
(3-pyrazol-1-ylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337319
1,2-oxazol-5-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337194
(3,4-dimethylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700193
2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122337187
(5-bromofuran-2-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 30867934
[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 122337339) is (2,5-dichlorothiophen-3-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is O=C(c1cc(Cl)sc1Cl)N1CCN(c2cc(-n3cccn3)ncn2)CC1.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is GOAWJSWGRHVGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N6OS/c17-12-8-11(15(18)26-12)16(25)23-6-4-22(5-7-23)13-9-14(20-10-19-13)24-3-1-2-21-24/h1-3,8-10H,4-7H2.
What are the key properties of (2,5-dichlorothiophen-3-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone?
(2,5-dichlorothiophen-3-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 409.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 122337339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).